tert-butyl (2R,3R,6S)-2-methyl-3-oxidanyl-6-(13-oxidanylidenetetradecyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3R,6S)-2-methyl-3-oxidanyl-6-(13-oxidanylidenetetradecyl)piperidine-1-carboxylate Openeye Name: tert-butyl (2R,3R,6S)-3-hydroxy-2-methyl-6-(13-oxotetradecyl)piperidine-1-carboxylate CAS Name: (2R,3R,6S)-3-hydroxy-2-methyl-6-(13-oxotetradecyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R,6S)-3-hydroxy-2-methyl-6-(13-oxotetradecyl)piperidine-1-carboxylate Traditional Name: (2R,3R,6S)-3-hydroxy-6-(13-ketotetradecyl)-2-methyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H47NO4 MolecularWeight: 425.64498

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1C(=O)OC(C)(C)C)CCCCCCCCCCCCC(=O)C)O

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@@H](N1C(=O)OC(C)(C)C)CCCCCCCCCCCCC(=O)C)O

InChI

InChI=1S/C25H47NO4/c1-20(27)16-14-12-10-8-6-7-9-11-13-15-17-22-18-19-23(28)21(2)26(22)24(29)30-25(3,4)5/h21-23,28H,6-19H2,1-5H3/t21-,22+,23-/m1/s1